============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 3 0.900 6.450 7.731 -43.517 -99.200 -91.000 TYR 7 0.840 2.422 -7.542 -41.709 -99.200 -91.000 PHE 8 1.000 9.173 -6.815 -36.483 -99.200 -91.000 PHE 9 1.000 4.915 -12.992 -40.023 -99.200 -91.000 PHE 22 1.000 1.776 -17.261 -36.367 -99.200 -91.000 TYR 27 0.840 5.443 -3.047 -34.460 -99.200 -91.000 PHE 33 1.000 -0.492 -2.640 -40.036 -99.200 -91.000 PHE 36 1.000 -3.735 -15.822 -35.582 -99.200 -91.000 TRP 51 1.040 -3.539 4.046 -38.460 -99.200 -91.000 TRP6 51 1.020 -2.483 2.289 -39.629 -99.200 -91.000 TYR 59 0.840 -6.662 -5.419 -44.194 -99.200 -91.000 TRP 60 1.040 -10.464 -6.324 -40.805 -99.200 -91.000 TRP6 60 1.020 -8.448 -6.018 -39.621 -99.200 -91.000 HIS 70 0.900 2.712 -15.269 -43.447 -99.200 -91.000 HIS 74 0.900 6.962 -18.848 -38.638 -99.200 -91.000 TYR 84 0.840 16.823 -29.016 -42.865 -99.200 -91.000 TYR 85 0.840 20.245 -26.536 -37.040 -99.200 -91.000 HIS 93 0.900 14.745 -26.900 -30.333 -99.200 -91.000 TYR 99 0.840 6.641 -10.698 -44.607 -99.200 -91.000 TRP 107 1.040 4.788 8.680 -48.884 -99.200 -91.000 TRP6 107 1.020 2.436 8.705 -48.698 -99.200 -91.000 PHE 109 1.000 12.094 -1.521 -52.936 -99.200 -91.000 TYR 113 0.840 13.250 -4.431 -44.136 -99.200 -91.000 HIS 114 0.900 10.838 -13.345 -46.198 -99.200 -91.000 TYR 116 0.840 12.880 -19.502 -41.156 -99.200 -91.000 TYR 118 0.840 15.810 -24.281 -35.018 -99.200 -91.000 TYR 123 0.840 17.856 -22.197 -41.251 -99.200 -91.000 TRP 133 1.040 17.500 -17.041 -51.112 -99.200 -91.000 TRP6 133 1.020 15.808 -16.219 -49.681 -99.200 -91.000 HIS 145 0.900 22.328 -25.426 -52.759 -99.200 -91.000 TRP 147 1.040 13.346 -21.563 -48.936 -99.200 -91.000 TRP6 147 1.020 13.418 -19.912 -47.247 -99.200 -91.000 HIS 151 0.900 11.200 -20.941 -60.061 -99.200 -91.000 TYR 159 0.840 4.628 -8.465 -49.455 -99.200 -91.000 TRP 167 1.040 -2.259 -3.570 -50.105 -99.200 -91.000 TRP6 167 1.020 -4.401 -3.460 -49.129 -99.200 -91.000 TYR 171 0.840 -1.872 -0.831 -44.366 -99.200 -91.000 HIS 188 0.900 11.527 16.664 -17.018 -99.200 -91.000 HIS 191 0.900 20.683 18.887 -7.976 -99.200 -91.000 HIS 192 0.900 17.288 13.128 -9.592 -99.200 -91.000 HIS 197 0.900 31.805 15.816 -2.227 -99.200 -91.000 TRP 204 1.040 14.036 13.091 -16.617 -99.200 -91.000 TRP6 204 1.020 13.187 10.923 -16.230 -99.200 -91.000 PHE 208 1.000 11.485 9.900 -27.517 -99.200 -91.000 TYR 209 0.840 5.340 7.574 -34.118 -99.200 -91.000 TRP 217 1.040 24.337 14.273 -20.134 -99.200 -91.000 TRP6 217 1.020 23.517 16.222 -19.093 -99.200 -91.000 PHE 241 1.000 8.382 4.351 -29.180 -99.200 -91.000 TRP 244 1.040 16.327 7.948 -17.456 -99.200 -91.000 TRP6 244 1.020 18.459 7.358 -16.603 -99.200 -91.000 TYR 257 0.840 29.188 18.763 -16.356 -99.200 -91.000 HIS 260 0.900 24.341 19.944 -26.622 -99.200 -91.000 HIS 263 0.900 11.776 12.881 -32.302 -99.200 -91.000 TRP 274 1.040 20.329 22.552 -11.875 -99.200 -91.000 TRP6 274 1.020 18.261 21.454 -11.589 -99.200 -91.000